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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>4411-26-1更多圖譜> 異硫氰酸1-金剛烷酯(4411-26-1)質(zhì)譜(MS)

4411-26-1

異硫氰酸1-金剛烷酯(4411-26-1)質(zhì)譜(MS)

產(chǎn)品名稱:異硫氰酸1-金剛烷酯

CAS:4411-26-1

分子式:C11H15NS

分子量: 193.31

InChI:InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2

InChIKey: YPKFLUARLJRPQM-UHFFFAOYSA-N

Smiles:C12(N=C=S)CC3CC(CC(C3)C1)C2

  • 圖譜
    Mass 

    MS-IW-8191          
1-adamantyl isothiocyanate
C11H15NS            (Mass of molecular ion:    193)


       Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          27.0       1.0
      39.0       2.2
      41.0       3.2
      53.0       1.6
      55.0       2.7
      65.0       1.3
      67.0       5.6
      69.0       1.6
      77.0       3.8
      78.0       1.3
      79.0      14.1
      80.0       1.2
      81.0       4.2
      91.0       3.4
      93.0      13.0
      94.0       1.1
     107.0       5.2
     135.0     100.0
     136.0      11.6
     193.0      21.3
     194.0       2.9
     195.0       1.1

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C11 H15 N S 0.039 g : 0.5 ml CDCl3
    1-adamantyl isothiocyanate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.11
      B             1.980
      C     *1      1.67
      D     *1      1.65
  

         Hz     ppm     Int.


        857.91   2.147     21
    845.09   2.115    280
    792.85   1.984   1000
    790.04   1.977    969
    782.10   1.957     63
    779.17   1.950     51
    677.37   1.695     74
    663.94   1.662    541
    661.74   1.656    562
    651.86   1.632     63
    650.88   1.629     65
    648.56   1.623     74

in CDCl3

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KBr disc

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nujol mull

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